4-[(E)-2-(4-aminophenyl)ethenyl]aniline

• ChemBase ID: 58691
• Molecular Formular: C14H14N2
• Molecular Mass: 210.27436
• Monoisotopic Mass: 210.11569846
• SMILES: c1cc(ccc1N)/C=C/c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)/C=C/c1ccc(cc1)N
• InChI: InChI=1S/C14H14N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H,15-16H2/b2-1+
• InChIKey: KOGDFDWINXIWHI-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(E)-2-(4-aminophenyl)ethenyl]aniline
• IUPAC Traditional name: 4-[(E)-2-(4-aminophenyl)ethenyl]aniline
• Synonyms: {4-[(E)-2-(4-Aminophenyl)vinyl]phenyl}amine

Database IDs

• CAS Number: 54760-75-7
• MDL Number: MFCD00044493
• PubChem SID: 162063454
• PubChem CID: 5284646

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6053338
• LogD (pH = 7.4): 2.6545832
• Log P: 2.655235
• Molar Refractivity: 70.9136 cm^3
• Polarizability: 25.861563 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false